[4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite

C13H9BrFN7S2 — CID 143460660

IUPAC[4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite
SMILESCc1cc(Nc2nc(Br)cn3c(-c4cnn(SF)c4)cnc23)sn1
InChIInChI=1S/C13H9BrFN7S2/c1-7-2-11(23-20-7)19-12-13-16-4-9(21(13)6-10(14)18-12)8-3-17-22(5-8)24-15/h2-6H,1H3,(H,18,19)
InChIKeyVUWOWBSLJOBMHW-UHFFFAOYSA-N
MW426.30 g/mol
LogP4.24
Rot. Bonds4

About [4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite

[4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite (PubChem CID 143460660) has the molecular formula C13H9BrFN7S2 and a molecular weight of 426.30 g/mol. Its IUPAC name is [4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite
PubChem CID143460660
Molecular FormulaC13H9BrFN7S2
Molecular Weight426.30 g/mol
Exact Mass424.95
IUPAC Name[4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite
SMILESCc1cc(Nc2nc(Br)cn3c(-c4cnn(SF)c4)cnc23)sn1
InChIInChI=1S/C13H9BrFN7S2/c1-7-2-11(23-20-7)19-12-13-16-4-9(21(13)6-10(14)18-12)8-3-17-22(5-8)24-15/h2-6H,1H3,(H,18,19)
InChIKeyVUWOWBSLJOBMHW-UHFFFAOYSA-N
XLogP4.24
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite?
The IUPAC name of [4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite (CID 143460660) is [4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite.
What is the SMILES notation for [4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite?
The canonical SMILES for [4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite is Cc1cc(Nc2nc(Br)cn3c(-c4cnn(SF)c4)cnc23)sn1.
What is the InChIKey of [4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite?
The InChIKey is VUWOWBSLJOBMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN7S2/c1-7-2-11(23-20-7)19-12-13-16-4-9(21(13)6-10(14)18-12)8-3-17-22(5-8)24-15/h2-6H,1H3,(H,18,19).
What are the key properties of [4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite?
[4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite has a molecular weight of 426.30 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-bromo-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl] thiohypofluorite is sourced from PubChem (CID 143460660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).